N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine

C23H21FN4S — CID 11732208

IUPACN-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)n1C
InChIInChI=1S/C23H21FN4S/c1-28-22(21(27-23(28)29-2)17-8-10-19(24)11-9-17)18-12-13-25-20(14-18)26-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyTVBDBLCHNYCOHL-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.62
Rot. Bonds6

About N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine

N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (PubChem CID 11732208) has the molecular formula C23H21FN4S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
PubChem CID11732208
Molecular FormulaC23H21FN4S
Molecular Weight404.51 g/mol
Exact Mass404.15
IUPAC NameN-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)n1C
InChIInChI=1S/C23H21FN4S/c1-28-22(21(27-23(28)29-2)17-8-10-19(24)11-9-17)18-12-13-25-20(14-18)26-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyTVBDBLCHNYCOHL-UHFFFAOYSA-N
XLogP5.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 24810307
N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 90666078
N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 67537630
1-[[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]propan-2-ol
CID 44568225
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 11101536
N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 75435629
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine
CID 10971477
N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine
CID 169196524
N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-3-(4-methoxyphenyl)propanamide
CID 45138071
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
CID 53238836
4-[2-(3-chloropropylsulfanyl)-5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyridine
CID 58752317
N-[4-[5-(4-ethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanyl-3-methylimidazol-4-yl]-2-pyridinyl]acetamide;3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylpropane-1,2-diol
CID 142830706

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (CID 11732208) is N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)n1C.
What is the InChIKey of N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The InChIKey is TVBDBLCHNYCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4S/c1-28-22(21(27-23(28)29-2)17-8-10-19(24)11-9-17)18-12-13-25-20(14-18)26-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,26).
What are the key properties of N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine has a molecular weight of 404.51 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 11732208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).